ethyl 5-(acetoxymethyl)-3,4-diethyl-1H-pyrrole-2-carboxylate
TL;DR: ethyl 5-(acetoxymethyl)-3,4-diethyl-1H-pyrrole-2-carboxylate (CAS 10199-92-5) is a chemical compound with molecular formula C14H21NO4 and molecular weight 267.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(acetyloxymethyl)-3,4-diethyl-1H-pyrrole-2-carboxylate
Also Known As: IFLab1_000771, J3.028.963C, ethyl 5-(acetoxymethyl)-3,4-diethyl-1H-pyrrole-2-carboxylate, ethyl 5-(acetyloxymethyl)-3,4-diethyl-1H-pyrrole-2-carboxylate, F0278-0032
| Molecular Formula | C14H21NO4 |
|---|---|
| Molecular Weight | 267.15 g/mol |
| LogP | 2.3793 |
| Topological Polar Surface Area | 68.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 267.14706 |
| Heavy Atoms | 19 |
| Complexity | 462.25616 |
Chemical Identifiers
| CAS Number | 10199-92-5 |
|---|---|
| SMILES | CCC1=C(NC(=C1CC)C(=O)OCC)COC(=O)C |
Product Overview
ethyl 5-(acetoxymethyl)-3,4-diethyl-1H-pyrrole-2-carboxylate (CAS 10199-92-5), with molecular formula C14H21NO4 and molecular weight 267.15 g/mol. IUPAC: ethyl 5-(acetyloxymethyl)-3,4-diethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of ethyl 5-(acetoxymethyl)-3,4-diethyl-1H-pyrrole-2-carboxylate
Property Insights of ethyl 5-(acetoxymethyl)-3,4-diethyl-1H-pyrrole-2-carboxylate
The XLogP value of 2.3793 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-(acetoxymethyl)-3,4-diethyl-1H-pyrrole-2-carboxylate. The TPSA of 68.39 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(acetoxymethyl)-3,4-diethyl-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 5-(acetoxymethyl)-3,4-diethyl-1H-pyrrole-2-carboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 5-(acetoxymethyl)-3,4-diethyl-1H-pyrrole-2-carboxylate?
The CAS number of ethyl 5-(acetoxymethyl)-3,4-diethyl-1H-pyrrole-2-carboxylate is 10199-92-5.
What is the molecular formula of ethyl 5-(acetoxymethyl)-3,4-diethyl-1H-pyrrole-2-carboxylate?
The molecular formula of ethyl 5-(acetoxymethyl)-3,4-diethyl-1H-pyrrole-2-carboxylate is C14H21NO4.
What is the molecular weight of ethyl 5-(acetoxymethyl)-3,4-diethyl-1H-pyrrole-2-carboxylate?
The molecular weight of ethyl 5-(acetoxymethyl)-3,4-diethyl-1H-pyrrole-2-carboxylate is 267.15 g/mol.
Where can I buy ethyl 5-(acetoxymethyl)-3,4-diethyl-1H-pyrrole-2-carboxylate?
You can request a quote for ethyl 5-(acetoxymethyl)-3,4-diethyl-1H-pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-(acetoxymethyl)-3,4-diethyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(acetoxymethyl)-3,4-diethyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.